methyl 2-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]-4,5-diethoxy-benzoate

Systemtic Name: methyl 2-[(4-aminocarbonylpiperidin-1-yl)carbothioylamino]-4,5-diethoxy-benzoate Openeye Name: methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxy-benzoate CAS Name: 2-[[(4-carbamoyl-1-piperidinyl)-sulfanylidenemethyl]amino]-4,5-diethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxybenzoate Traditional Name: 2-[(4-carbamoylpiperidine-1-carbothioyl)amino]-4,5-diethoxy-benzoic acid methyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCC(CC2)C(=O)N)OCC

InChI

InChI=1S/C19H27N3O5S/c1-4-26-15-10-13(18(24)25-3)14(11-16(15)27-5-2)21-19(28)22-8-6-12(7-9-22)17(20)23/h10-12H,4-9H2,1-3H3,(H2,20,23)(H,21,28)